SCHEMBL24323102

SCHEMBL24323102

COc1ccc(CNC(=O)[C@@H]2CC(NC(=O)COc3ccc(Cl)c(F)c3)C3CC2C3)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ ATF4 P18848 3/20 0.44
▸ PKM P14618 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19577383 1.00 HSD17B10 (0.45) HSD17B10POLBATF4PKMNPC1
SCHEMBL24323139 1.00 HSD17B10 (0.45) HSD17B10POLBATF4PKMNPC1
SCHEMBL19577327 0.95 ATF4 (0.44) HSD17B10POLBATF4PKMNPC1
SCHEMBL24322824 0.95 ATF4 (0.46) HSD17B10POLBATF4PKMNPC1
SCHEMBL19577457 0.95 ATF4 (0.46) HSD17B10POLBATF4PKMNPC1
SCHEMBL24323450 0.91 GAA (0.47) ATF4ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL19577482 0.91 GAA (0.47) ATF4ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL24322956 0.91 GAA (0.47) ATF4ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL24324216 0.91 ATF4 (0.49) ATF4
SCHEMBL24322885 0.91 ATF4 (0.49) ATF4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 — — EP disclosed
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